SCHEMBL1109115

SCHEMBL1109115

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN3CC[C@H](N(C)C)C3)cc2)cc1)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.46
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12064315 1.00 MCHR1 (0.46) MCHR1HDAC1ALDH1A1MAPTMAPK1
SCHEMBL10286659 1.00 MCHR1 (0.46) MCHR1HDAC1ALDH1A1MAPTMAPK1
SCHEMBL12056015 0.92 ALDH1A1 (0.40) ALDH1A1
SCHEMBL401077 0.92 ALDH1A1 (0.40) ALDH1A1
SCHEMBL405359 0.92 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1912171 0.88 ALDH1A1 (0.43) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL1912172 0.86 MCHR1 (0.48) MCHR1HDAC1ALDH1A1MAPTMAPK1
SCHEMBL1912163 0.85 HDAC1 (0.55) MCHR1HDAC1
SCHEMBL1109294 0.85 HDAC1 (0.55) MCHR1HDAC1
SCHEMBL1912207 0.85 ALDH1A1 (0.41) MCHR1ALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885ALDH1A1 782/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885ALDH1A1 782/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885ALDH1A1 782/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MCHR1 4181/4885HDAC1 824/4885ALDH1A1 782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.